(1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

C19H24N4O2 — CID 11849179

IUPAC(1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCc1cccc(/C(=N/O)C(O)CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,17,24-25H,9-12,14H2,1H3/b21-19-
InChIKeyICPYNMWGXFFVKR-VZCXRCSSSA-N
MW340.43 g/mol
LogP1.75
Rot. Bonds5

About (1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

(1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 11849179) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID11849179
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCc1cccc(/C(=N/O)C(O)CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,17,24-25H,9-12,14H2,1H3/b21-19-
InChIKeyICPYNMWGXFFVKR-VZCXRCSSSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 11849179) is (1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is Cc1cccc(/C(=N/O)C(O)CN2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of (1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is ICPYNMWGXFFVKR-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,17,24-25H,9-12,14H2,1H3/b21-19-.
What are the key properties of (1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
(1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 340.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 11849179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).